2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol

C16H21N3O — CID 114765175

IUPAC2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol
SMILESCc1cc(CN)cc(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-13-9-15(11-17)10-16(18-13)19(7-8-20)12-14-5-3-2-4-6-14/h2-6,9-10,20H,7-8,11-12,17H2,1H3
InChIKeyRWSCVTYHEGBAPD-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.85
Rot. Bonds6

About 2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol

2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol (PubChem CID 114765175) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol
PubChem CID114765175
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol
SMILESCc1cc(CN)cc(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-13-9-15(11-17)10-16(18-13)19(7-8-20)12-14-5-3-2-4-6-14/h2-6,9-10,20H,7-8,11-12,17H2,1H3
InChIKeyRWSCVTYHEGBAPD-UHFFFAOYSA-N
XLogP1.85
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol (CID 114765175) is 2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol is Cc1cc(CN)cc(N(CCO)Cc2ccccc2)n1.
What is the InChIKey of 2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol?
The InChIKey is RWSCVTYHEGBAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-9-15(11-17)10-16(18-13)19(7-8-20)12-14-5-3-2-4-6-14/h2-6,9-10,20H,7-8,11-12,17H2,1H3.
What are the key properties of 2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol?
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol has a molecular weight of 271.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-benzylamino]ethanol is sourced from PubChem (CID 114765175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).